7,8-dimethoxy-2-methylsulfanyl-6-phenyl-5,6-dihydro-4H-phenalene-1-carbonitrile

Systemtic Name: 7,8-dimethoxy-2-methylsulfanyl-6-phenyl-5,6-dihydro-4H-phenalene-1-carbonitrile Openeye Name: 7,8-dimethoxy-2-methylsulfanyl-6-phenyl-5,6-dihydro-4H-phenalene-1-carbonitrile CAS Name: 7,8-dimethoxy-2-(methylthio)-6-phenyl-5,6-dihydro-4H-phenalene-1-carbonitrile IUPAC Name: 7,8-dimethoxy-2-methylsulfanyl-6-phenyl-5,6-dihydro-4H-phenalene-1-carbonitrile Traditional Name: 7,8-dimethoxy-2-(methylthio)-6-phenyl-5,6-dihydro-4H-phenalene-1-carbonitrile Formula: C23H21NO2S MolecularWeight: 375.48334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C3C(=CC(=C(C3=C1)C#N)SC)CCC2C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C2=C3C(=CC(=C(C3=C1)C#N)SC)CCC2C4=CC=CC=C4)OC

InChI

InChI=1S/C23H21NO2S/c1-25-19-12-17-18(13-24)20(27-3)11-15-9-10-16(14-7-5-4-6-8-14)22(21(15)17)23(19)26-2/h4-8,11-12,16H,9-10H2,1-3H3